[1-(2-amino-5-bromo-4-fluorophenyl)piperidin-2-yl]methanol

C12H16BrFN2O — CID 116735604

IUPAC[1-(2-amino-5-bromo-4-fluorophenyl)piperidin-2-yl]methanol
SMILESNc1cc(F)c(Br)cc1N1CCCCC1CO
InChIInChI=1S/C12H16BrFN2O/c13-9-5-12(11(15)6-10(9)14)16-4-2-1-3-8(16)7-17/h5-6,8,17H,1-4,7,15H2
InChIKeyZNUPRPXGILZHFB-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.52
Rot. Bonds2

About [1-(2-amino-5-bromo-4-fluorophenyl)piperidin-2-yl]methanol

[1-(2-amino-5-bromo-4-fluorophenyl)piperidin-2-yl]methanol (PubChem CID 116735604) has the molecular formula C12H16BrFN2O and a molecular weight of 303.17 g/mol. Its IUPAC name is [1-(2-amino-5-bromo-4-fluorophenyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-5-bromo-4-fluorophenyl)piperidin-2-yl]methanol
PubChem CID116735604
Molecular FormulaC12H16BrFN2O
Molecular Weight303.17 g/mol
Exact Mass302.04
IUPAC Name[1-(2-amino-5-bromo-4-fluorophenyl)piperidin-2-yl]methanol
SMILESNc1cc(F)c(Br)cc1N1CCCCC1CO
InChIInChI=1S/C12H16BrFN2O/c13-9-5-12(11(15)6-10(9)14)16-4-2-1-3-8(16)7-17/h5-6,8,17H,1-4,7,15H2
InChIKeyZNUPRPXGILZHFB-UHFFFAOYSA-N
XLogP2.52
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-(5-bromo-4-fluoro-2-nitrophenyl)piperidin-2-yl]methanol
CID 116739629
[1-(2-amino-5-bromophenyl)piperidin-2-yl]methanol
CID 65342923
[1-(2-amino-5-fluoro-4-iodophenyl)pyrrolidin-2-yl]methanol
CID 66101661
1-(2-amino-5-bromo-4-fluorophenyl)piperidine-2-carboxamide
CID 116735707
[1-(2-amino-4-fluoro-5-propoxyphenyl)azepan-2-yl]methanol
CID 116634014
2-(2-ethylazepan-1-yl)-4,5-difluoroaniline
CID 112751845
4-bromo-2-(2,3-dimethylpiperidin-1-yl)-5-fluoroaniline
CID 116735820
4-bromo-5-fluoro-2-(2-propan-2-ylpyrrolidin-1-yl)aniline
CID 116736061
[1-(2-fluorophenyl)piperidin-2-yl]methanol
CID 68536498
[1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol
CID 61406388
2-[1-(2-amino-5-ethoxy-4-fluorophenyl)piperidin-2-yl]ethanol
CID 63593025
1-(2-amino-5-bromo-4-fluorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 116735536

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-5-bromo-4-fluorophenyl)piperidin-2-yl]methanol?
The IUPAC name of [1-(2-amino-5-bromo-4-fluorophenyl)piperidin-2-yl]methanol (CID 116735604) is [1-(2-amino-5-bromo-4-fluorophenyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(2-amino-5-bromo-4-fluorophenyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(2-amino-5-bromo-4-fluorophenyl)piperidin-2-yl]methanol is Nc1cc(F)c(Br)cc1N1CCCCC1CO.
What is the InChIKey of [1-(2-amino-5-bromo-4-fluorophenyl)piperidin-2-yl]methanol?
The InChIKey is ZNUPRPXGILZHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c13-9-5-12(11(15)6-10(9)14)16-4-2-1-3-8(16)7-17/h5-6,8,17H,1-4,7,15H2.
What are the key properties of [1-(2-amino-5-bromo-4-fluorophenyl)piperidin-2-yl]methanol?
[1-(2-amino-5-bromo-4-fluorophenyl)piperidin-2-yl]methanol has a molecular weight of 303.17 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-5-bromo-4-fluorophenyl)piperidin-2-yl]methanol is sourced from PubChem (CID 116735604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).